| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: BEN_A_4(4EDK) / Model_3(4EDK/A) = [3.3]
| Download | 1184.82 | 14.09 | MARIPEEVIDQVRNQADIVDIIGNYVQLKKQGRNYSGLCPFHGEKTPSFSVSPEKQIFHCFGCGKGGNVFSFLMEHDGLTFVESVKKVADMSHLDVAIELPEERDTSNLPKETSETAKMVEMHQLTAKLYHYILMETEEGTAALTYLKERGMSEQMMTTFQIGFAPNHHATITSFLEKRGMDLQLAGAAGLLSERDDGQMVDRFRNRIMFPITNDRGQIIAFSGRLFDRDDGPKYLNSPETPVFNKRRILFHFSEARQAIRKQEEITLMEGFMDVISAEEAGVQNAVASMGTSLTEEHADLIKRLTNRAIICYDGDRAGIEAAYKAGTLLVERNRLDVFVLQLPAGKDPDDFIRASGPEKFKEVYKQQRMTWTAFKIHYLRKERNLQNETEQIGYIDDCLREIAKLDQAVERELYLKQLADEFELTIETLKQQLQQSLKNSQKSRQMASYNEPPIDDSFMGMMPQEGAEMLFSFEQPAQKLSAHTISEQQLMKAMMESRDNFLLIKQLLGDTTFYHDNYEALYTYLIGYFAEGNDADPTKFMDSVPDAAMKGLISSLEMVISPDEQGKPQFEDYIRSLKRYKLEQKKKELEQELATYNRENDNENEIRVMLEIVQLNRQLNSGQLD |
| Complex: BEN_A_4(4EDR) / Model_4(4EDR/A) = [3.4]
| Download | 1133.64 | 18.27 | MARIPEEVIDQVRNQADIVDIIGNYVQLKKQGRNYSGLCPFHGEKTPSFSVSPEKQIFHCFGCGKGGNVFSFLMEHDGLTFVESVKKVADMSHLDVAIELPEERDTSNLPKETSETAKMVEMHQLTAKLYHYILMETEEGTAALTYLKERGMSEQMMTTFQIGFAPNHHATITSFLEKRGMDLQLAGAAGLLSERDDGQMVDRFRNRIMFPITNDRGQIIAFSGRLFDRDDGPKYLNSPETPVFNKRRILFHFSEARQAIRKQEEITLMEGFMDVISAEEAGVQNAVASMGTSLTEEHADLIKRLTNRAIICYDGDRAGIEAAYKAGTLLVERNRLDVFVLQLPAGKDPDDFIRASGPEKFKEVYKQQRMTWTAFKIHYLRKERNLQNETEQIGYIDDCLREIAKLDQAVERELYLKQLADEFELTIETLKQQLQQSLKNSQKSRQMASYNEPPIDDSFMGMMPQEGAEMLFSFEQPAQKLSAHTISEQQLMKAMMESRDNFLLIKQLLGDTTFYHDNYEALYTYLIGYFAEGNDADPTKFMDSVPDAAMKGLISSLEMVISPDEQGKPQFEDYIRSLKRYKLEQKKKELEQELATYNRENDNENEIRVMLEIVQLNRQLNSGQLD |
| Complex: 0O2_A_3(4EDV) / Model_6(4EDV/A) = [4.6]
| Download | 1536.96 | -6.87 | MARIPEEVIDQVRNQADIVDIIGNYVQLKKQGRNYSGLCPFHGEKTPSFSVSPEKQIFHCFGCGKGGNVFSFLMEHDGLTFVESVKKVADMSHLDVAIELPEERDTSNLPKETSETAKMVEMHQLTAKLYHYILMETEEGTAALTYLKERGMSEQMMTTFQIGFAPNHHATITSFLEKRGMDLQLAGAAGLLSERDDGQMVDRFRNRIMFPITNDRGQIIAFSGRLFDRDDGPKYLNSPETPVFNKRRILFHFSEARQAIRKQEEITLMEGFMDVISAEEAGVQNAVASMGTSLTEEHADLIKRLTNRAIICYDGDRAGIEAAYKAGTLLVERNRLDVFVLQLPAGKDPDDFIRASGPEKFKEVYKQQRMTWTAFKIHYLRKERNLQNETEQIGYIDDCLREIAKLDQAVERELYLKQLADEFELTIETLKQQLQQSLKNSQKSRQMASYNEPPIDDSFMGMMPQEGAEMLFSFEQPAQKLSAHTISEQQLMKAMMESRDNFLLIKQLLGDTTFYHDNYEALYTYLIGYFAEGNDADPTKFMDSVPDAAMKGLISSLEMVISPDEQGKPQFEDYIRSLKRYKLEQKKKELEQELATYNRENDNENEIRVMLEIVQLNRQLNSGQLD |
| Complex: G4P_A_3(4EDT) / Model_5(4EDT/A) = [4.7]
| Download | 2069.32 | -8.36 | MARIPEEVIDQVRNQADIVDIIGNYVQLKKQGRNYSGLCPFHGEKTPSFSVSPEKQIFHCFGCGKGGNVFSFLMEHDGLTFVESVKKVADMSHLDVAIELPEERDTSNLPKETSETAKMVEMHQLTAKLYHYILMETEEGTAALTYLKERGMSEQMMTTFQIGFAPNHHATITSFLEKRGMDLQLAGAAGLLSERDDGQMVDRFRNRIMFPITNDRGQIIAFSGRLFDRDDGPKYLNSPETPVFNKRRILFHFSEARQAIRKQEEITLMEGFMDVISAEEAGVQNAVASMGTSLTEEHADLIKRLTNRAIICYDGDRAGIEAAYKAGTLLVERNRLDVFVLQLPAGKDPDDFIRASGPEKFKEVYKQQRMTWTAFKIHYLRKERNLQNETEQIGYIDDCLREIAKLDQAVERELYLKQLADEFELTIETLKQQLQQSLKNSQKSRQMASYNEPPIDDSFMGMMPQEGAEMLFSFEQPAQKLSAHTISEQQLMKAMMESRDNFLLIKQLLGDTTFYHDNYEALYTYLIGYFAEGNDADPTKFMDSVPDAAMKGLISSLEMVISPDEQGKPQFEDYIRSLKRYKLEQKKKELEQELATYNRENDNENEIRVMLEIVQLNRQLNSGQLD |
| Complex: NACID_D_2(3B39) / Model_21(3B39/B) = [4.7]
| Download | - | - | MARIPEEVIDQVRNQADIVDIIGNYVQLKKQGRNYSGLCPFHGEKTPSFSVSPEKQIFHCFGCGKGGNVFSFLMEHDGLTFVESVKKVADMSHLDVAIELPEERDTSNLPKETSETAKMVEMHQLTAKLYHYILMETEEGTAALTYLKERGMSEQMMTTFQIGFAPNHHATITSFLEKRGMDLQLAGAAGLLSERDDGQMVDRFRNRIMFPITNDRGQIIAFSGRLFDRDDGPKYLNSPETPVFNKRRILFHFSEARQAIRKQEEITLMEGFMDVISAEEAGVQNAVASMGTSLTEEHADLIKRLTNRAIICYDGDRAGIEAAYKAGTLLVERNRLDVFVLQLPAGKDPDDFIRASGPEKFKEVYKQQRMTWTAFKIHYLRKERNLQNETEQIGYIDDCLREIAKLDQAVERELYLKQLADEFELTIETLKQQLQQSLKNSQKSRQMASYNEPPIDDSFMGMMPQEGAEMLFSFEQPAQKLSAHTISEQQLMKAMMESRDNFLLIKQLLGDTTFYHDNYEALYTYLIGYFAEGNDADPTKFMDSVPDAAMKGLISSLEMVISPDEQGKPQFEDYIRSLKRYKLEQKKKELEQELATYNRENDNENEIRVMLEIVQLNRQLNSGQLD |
Consensus
[pKd Mean = 4.14] | - | 1481
(s=373) | 4
(s=12) | MARIPEEVIDQVRNQADIVDIIGNYVQLKKQGRNYSGLCPFHGEKTPSFSVSPEKQIFHCFGCGKGGNVFSFLMEHDGLTFVESVKKVADMSHLDVAIELPEERDTSNLPKETSETAKMVEMHQLTAKLYHYILMETEEGTAALTYLKERGMSEQMMTTFQIGFAPNHHATITSFLEKRGMDLQLAGAAGLLSERDDGQMVDRFRNRIMFPITNDRGQIIAFSGRLFDRDDGPKYLNSPETPVFNKRRILFHFSEARQAIRKQEEITLMEGFMDVISAEEAGVQNAVASMGTSLTEEHADLIKRLTNRAIICYDGDRAGIEAAYKAGTLLVERNRLDVFVLQLPAGKDPDDFIRASGPEKFKEVYKQQRMTWTAFKIHYLRKERNLQNETEQIGYIDDCLREIAKLDQAVERELYLKQLADEFELTIETLKQQLQQSLKNSQKSRQMASYNEPPIDDSFMGMMPQEGAEMLFSFEQPAQKLSAHTISEQQLMKAMMESRDNFLLIKQLLGDTTFYHDNYEALYTYLIGYFAEGNDADPTKFMDSVPDAAMKGLISSLEMVISPDEQGKPQFEDYIRSLKRYKLEQKKKELEQELATYNRENDNENEIRVMLEIVQLNRQLNSGQLD |